3-bromo-1,1,1-trifluoro-2-methylpropane

C4H6BrF3 — CID 71756869

IUPAC3-bromo-1,1,1-trifluoro-2-methylpropane
SMILESCC(CBr)C(F)(F)F
InChIInChI=1S/C4H6BrF3/c1-3(2-5)4(6,7)8/h3H,2H2,1H3
InChIKeyAANLYORBFNBDGG-UHFFFAOYSA-N
MW190.99 g/mol
LogP2.58
Rot. Bonds1

About 3-bromo-1,1,1-trifluoro-2-methylpropane

3-bromo-1,1,1-trifluoro-2-methylpropane (PubChem CID 71756869) has the molecular formula C4H6BrF3 and a molecular weight of 190.99 g/mol. Its IUPAC name is 3-bromo-1,1,1-trifluoro-2-methylpropane.

Molecular Properties

Compound Name3-bromo-1,1,1-trifluoro-2-methylpropane
PubChem CID71756869
Molecular FormulaC4H6BrF3
Molecular Weight190.99 g/mol
Exact Mass189.96
IUPAC Name3-bromo-1,1,1-trifluoro-2-methylpropane
SMILESCC(CBr)C(F)(F)F
InChIInChI=1S/C4H6BrF3/c1-3(2-5)4(6,7)8/h3H,2H2,1H3
InChIKeyAANLYORBFNBDGG-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.99
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 155727070
1,1,1,2,2,5,5,5-octafluoro-4-methylpentane
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1,1,1-trifluoro-2-methyl-3-methyliodanuidylpropane
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4,4,4-trifluoro-3-methylbutan-1-amine
CID 10464414
5,5,5-trifluoro-4-methylpentan-2-amine
CID 55254968
(4R)-5,5,5-trifluoro-4-methylpent-1-ene
CID 89023731
1-bromo-1,1,2,2,6,6,6-heptafluoro-5-methylhexane
CID 87921894
3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine
CID 87066747
4,4,4-trifluoro-3-methylbutanenitrile
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chloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane
CID 139332506

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,1,1-trifluoro-2-methylpropane?
The IUPAC name of 3-bromo-1,1,1-trifluoro-2-methylpropane (CID 71756869) is 3-bromo-1,1,1-trifluoro-2-methylpropane.
What is the SMILES notation for 3-bromo-1,1,1-trifluoro-2-methylpropane?
The canonical SMILES for 3-bromo-1,1,1-trifluoro-2-methylpropane is CC(CBr)C(F)(F)F.
What is the InChIKey of 3-bromo-1,1,1-trifluoro-2-methylpropane?
The InChIKey is AANLYORBFNBDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrF3/c1-3(2-5)4(6,7)8/h3H,2H2,1H3.
What are the key properties of 3-bromo-1,1,1-trifluoro-2-methylpropane?
3-bromo-1,1,1-trifluoro-2-methylpropane has a molecular weight of 190.99 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,1,1-trifluoro-2-methylpropane is sourced from PubChem (CID 71756869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).